N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-propyn-1-amine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]prop-2-yn-1-amine Traditional Name: [1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-propargyl-amine Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCC#C

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCC#C

InChI

InChI=1S/C13H19N3O2S/c1-4-6-14-8-13-10(2)15-16(11(13)3)12-5-7-19(17,18)9-12/h1,12,14H,5-9H2,2-3H3